⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9391368 | 0.73 | — | — | |
| SCHEMBL7953248 | 0.69 | — | — | |
| SCHEMBL7953246 | 0.69 | — | — | |
| SCHEMBL629667 | 0.62 | — | — | |
| SCHEMBL131494 | 0.62 | — | — | |
| SCHEMBL246513 | 0.60 | TSHR (0.41) | — | |
| SCHEMBL8024009 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL9392081 | 0.59 | — | — | |
| SCHEMBL16920748 | 0.58 | — | — | |
| SCHEMBL6177821 | 0.58 | TSHR (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994011344-A1 | SUBSTITUTED 3,4,5,6-TETRAHYDROPHTHALIMIDES FOR USE AS HERBICIDES AND/OR DEFOLIANTS OR DESICCANTS | BASF AKTIENGESELLSCHAFT (DE) | 1994-05-26 | — | — | WO | disclosed |